1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one

C13H26N2O2 — CID 119517505

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)17-9-6-13(16)15-7-4-12(5-8-15)11(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyQXXYBJQJJYUCKD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 119517505) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID119517505
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)17-9-6-13(16)15-7-4-12(5-8-15)11(3)14/h10-12H,4-9,14H2,1-3H3
InChIKeyQXXYBJQJJYUCKD-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119520484
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
1-[4-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119520963
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
CID 86996424
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one (CID 119517505) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is QXXYBJQJJYUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)17-9-6-13(16)15-7-4-12(5-8-15)11(3)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 119517505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).